COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.335  -3.023   0.121  1.00  0.00           N  
HETATM    2  N   UNL     1       0.858   2.903   0.674  1.00  0.00           N  
HETATM    3  C   UNL     1       5.346  -1.070   0.199  1.00  0.00           C  
HETATM    4  C   UNL     1       4.322  -0.014   0.371  1.00  0.00           C  
HETATM    5  C   UNL     1       3.026  -0.110  -0.016  1.00  0.00           C  
HETATM    6  C   UNL     1       2.385   1.150   0.344  1.00  0.00           C  
HETATM    7  C   UNL     1       1.088   1.675   0.219  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.280   0.382  -0.554  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.166  -1.661  -0.693  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.485   0.493   0.107  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.124  -2.936   0.275  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.330   3.477  -1.689  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.061   1.463  -2.975  1.00  0.00           C  
HETATM   14  C   UNL     1       1.821   3.614   1.231  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.420   0.939   0.538  1.00  0.00           O  
HETATM   16  S   UNL     1      -5.925  -0.327   0.951  1.00  0.00           S  
HETATM   17  O   UNL     1      -5.556  -0.567   2.302  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.985  -1.665   0.327  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.118  -2.808  -0.856  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.942  -1.770  -1.353  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.008  -0.759  -1.285  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.423  -0.529   0.044  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.270   1.499  -0.485  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.355   2.343  -1.758  1.00  0.00           C  
HETATM   25  N   UNL     1       0.076   0.933  -0.364  1.00  0.00           N  
HETATM   26  N   UNL     1       3.050   3.164   1.370  1.00  0.00           N  
HETATM   27  C   UNL     1       3.380   1.945   0.945  1.00  0.00           C  
HETATM   28  N   UNL     1       4.539   1.217   0.948  1.00  0.00           N  
HETATM   29  C   UNL     1       6.691  -0.874  -0.176  1.00  0.00           C  
HETATM   30  C   UNL     1       7.342   0.452  -0.474  1.00  0.00           C  
HETATM   31  C   UNL     1       5.160  -2.412   0.375  1.00  0.00           C  
HETATM   32  N   UNL     1       7.274  -2.042  -0.220  1.00  0.00           N  
HETATM   33  C   UNL     1       6.587  -4.464   0.196  1.00  0.00           C  
HETATM   34  H   UNL     1       2.558  -0.956  -0.498  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.702   1.383   0.679  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.596  -3.057   1.221  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.762  -3.802   0.101  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.540   4.104  -0.822  1.00  0.00           H  
HETATM   39  H   UNL     1       0.671   3.056  -1.598  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.391   4.078  -2.596  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.059   1.042  -2.884  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.791   0.655  -3.024  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.122   2.064  -3.882  1.00  0.00           H  
HETATM   44  H   UNL     1       1.591   4.608   1.588  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.345  -1.419  -0.672  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.829  -1.815   1.000  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.662  -2.679  -1.792  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.543  -3.732  -0.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.723  -2.659  -1.925  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.065  -0.859  -1.802  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.480   2.126   0.381  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.357   2.764  -1.849  1.00  0.00           H  
HETATM   53  H   UNL     1       0.258   0.039  -0.692  1.00  0.00           H  
HETATM   54  H   UNL     1       5.388   1.524   1.304  1.00  0.00           H  
HETATM   55  H   UNL     1       7.237   0.678  -1.535  1.00  0.00           H  
HETATM   56  H   UNL     1       6.861   1.234   0.114  1.00  0.00           H  
HETATM   57  H   UNL     1       8.400   0.403  -0.216  1.00  0.00           H  
HETATM   58  H   UNL     1       4.239  -2.896   0.665  1.00  0.00           H  
HETATM   59  H   UNL     1       6.385  -4.919  -0.774  1.00  0.00           H  
HETATM   60  H   UNL     1       7.628  -4.637   0.469  1.00  0.00           H  
HETATM   61  H   UNL     1       5.936  -4.908   0.949  1.00  0.00           H  
CONECT    1   32   33   31                                            
CONECT    2    7   14   14                                            
CONECT    3   31   31   29    4                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    7   27                                       
CONECT    7    6    6   25    2                                       
CONECT    8   23   21   21   10                                       
CONECT    9   20   20   22   19                                       
CONECT   10   22   22    8   35                                       
CONECT   11   18   19   36   37                                       
CONECT   12   24   38   39   40                                       
CONECT   13   24   41   42   43                                       
CONECT   14    2    2   26   44                                       
CONECT   15   16   16                                                 
CONECT   16   22   17   17   15                                       
CONECT   16   15   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   11   45   46                                       
CONECT   19   11    9   47   48                                       
CONECT   20   21    9    9   49                                       
CONECT   21    8    8   20   50                                       
CONECT   22    9   10   10   16                                       
CONECT   23   25    8   24   51                                       
CONECT   24   23   12   13   52                                       
CONECT   25    7   23   53                                            
CONECT   26   14   27   27                                            
CONECT   27   26   26    6   28                                       
CONECT   28   27    4   54                                            
CONECT   29   30   32   32    3                                       
CONECT   30   29   55   56   57                                       
CONECT   31    1    3    3   58                                       
CONECT   32   29   29    1                                            
CONECT   33    1   59   60   61                                       
CONECT   34    5                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
